HCID15917496

4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride

4-methoxy-2,6-dimethylbenzenesulfonyl chloride

C9H11ClO3S234.7 g/molCAS 55661-08-0

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IDENTITY

结构与身份

标准SMILES: COc1cc(C)c(S(=O)(=O)Cl)c(C)c1
InChIKey: FARJAHHRGCAAOY-UHFFFAOYSA-N
分子式: C9H11ClO3S
平均分子量: 234.7 g/mol
单同位素质量: 234.0117431

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 51.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 271

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 30 条

55661-08-04-methoxy-2,6-dimethylbenzene-1-sulfonyl chlorideDTXSID10579530RefChem:293766DTXCID40530295875-103-44-methoxy-2,6-dimethylbenzenesulfonyl chloride4-methoxy-2,6-dimethyl-benzenesulfonyl chlorideMFCD002103272,6-Dimethyl-4-methoxybenzenesulphonyl chlorideBenzenesulfonyl chloride, 4-methoxy-2,6-dimethyl-2,6-dimethyl-4-methoxyphenylsulfonyl chloride4-Methoxy-2,6-dimethylbenzenesulfonylchlorideSCHEMBL152815FARJAHHRGCAAOY-UHFFFAOYSA-NAKOS009208064SB37650AS-31302SY008164DB-072022

REACTIONS

参与反应

49 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541573B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541573B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08492559B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08623859B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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